CID 130478320

1356821-60-7

Structural Information

Molecular Formula
C10H13NO2
SMILES
CC1=C(C=CN1CC2CC2)C(=O)O
InChI
InChI=1S/C10H13NO2/c1-7-9(10(12)13)4-5-11(7)6-8-2-3-8/h4-5,8H,2-3,6H2,1H3,(H,12,13)
InChIKey
ZVBFIJSHWORKEY-UHFFFAOYSA-N
Compound name
1-(cyclopropylmethyl)-2-methylpyrrole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.09464 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.101916 138.3
[M+Na]+ 202.083858 148.5
[M-H]- 178.087364 143.7
[M+NH4]+ 197.128463 153.6
[M+K]+ 218.057798 144.7
[M+H-H2O]+ 162.091900 132.0
[M+HCOO]- 224.092841 160.4
[M+CH3COO]- 238.108491 182.6
[M+Na-2H]- 200.069306 141.1
[M]+ 179.09409142 141.3
[M]- 179.09518858 141.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.